2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane

C19H20O — CID 132559150

IUPAC2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane
SMILESC(=C/C1(c2ccccc2)CCCO1)\Cc1ccccc1
InChIInChI=1S/C19H20O/c1-3-9-17(10-4-1)11-7-14-19(15-8-16-20-19)18-12-5-2-6-13-18/h1-7,9-10,12-14H,8,11,15-16H2/b14-7+
InChIKeyJPYZYRRFDOFTLT-VGOFMYFVSA-N
MW264.37 g/mol
LogP4.49
Rot. Bonds4

About 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane

2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane (PubChem CID 132559150) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane.

Molecular Properties

Compound Name2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane
PubChem CID132559150
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane
SMILESC(=C/C1(c2ccccc2)CCCO1)\Cc1ccccc1
InChIInChI=1S/C19H20O/c1-3-9-17(10-4-1)11-7-14-19(15-8-16-20-19)18-12-5-2-6-13-18/h1-7,9-10,12-14H,8,11,15-16H2/b14-7+
InChIKeyJPYZYRRFDOFTLT-VGOFMYFVSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane?
The IUPAC name of 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane (CID 132559150) is 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane.
What is the SMILES notation for 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane?
The canonical SMILES for 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane is C(=C/C1(c2ccccc2)CCCO1)\Cc1ccccc1.
What is the InChIKey of 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane?
The InChIKey is JPYZYRRFDOFTLT-VGOFMYFVSA-N. The full InChI is InChI=1S/C19H20O/c1-3-9-17(10-4-1)11-7-14-19(15-8-16-20-19)18-12-5-2-6-13-18/h1-7,9-10,12-14H,8,11,15-16H2/b14-7+.
What are the key properties of 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane?
2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane has a molecular weight of 264.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(E)-3-phenylprop-1-enyl]oxolane is sourced from PubChem (CID 132559150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).